6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one

C16H16N4O2S — CID 39197288

IUPAC6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one
SMILESCCc1c(C)sc2nc(-c3ccc4[nH]c(=O)oc4c3)c(CN)n12
InChIInChI=1S/C16H16N4O2S/c1-3-11-8(2)23-15-19-14(12(7-17)20(11)15)9-4-5-10-13(6-9)22-16(21)18-10/h4-6H,3,7,17H2,1-2H3,(H,18,21)
InChIKeyVXIRJVAESDYLLV-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.83
Rot. Bonds3

About 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one

6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 39197288) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one
PubChem CID39197288
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one
SMILESCCc1c(C)sc2nc(-c3ccc4[nH]c(=O)oc4c3)c(CN)n12
InChIInChI=1S/C16H16N4O2S/c1-3-11-8(2)23-15-19-14(12(7-17)20(11)15)9-4-5-10-13(6-9)22-16(21)18-10/h4-6H,3,7,17H2,1-2H3,(H,18,21)
InChIKeyVXIRJVAESDYLLV-UHFFFAOYSA-N
XLogP2.83
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-[1-(aminomethyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl]-3H-1,3-benzoxazol-2-one
CID 82035152
2,3-dimethyl-6-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39200863
2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 39200811
6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 82103001
N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide
CID 82342362
6-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-3H-1,3-benzoxazol-2-one
CID 82360074
6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 82068607
2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062667
6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068822
[6-(4-methoxyphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197044
ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
CID 110311604
3-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068806

Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one (CID 39197288) is 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one is CCc1c(C)sc2nc(-c3ccc4[nH]c(=O)oc4c3)c(CN)n12.
What is the InChIKey of 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is VXIRJVAESDYLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-11-8(2)23-15-19-14(12(7-17)20(11)15)9-4-5-10-13(6-9)22-16(21)18-10/h4-6H,3,7,17H2,1-2H3,(H,18,21).
What are the key properties of 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one?
6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 328.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 39197288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).